Crystallography Open Database

Information card for entry 4504625

Preview

Coordinates	4504625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 N2 Ni O9
Calculated formula	C15 H19 N2 Ni O9
Title of publication	Polythreading of Infinite 1D Chains into Different Structural Motifs: Two Poly(pseudo-rotaxane) Architectures Constructed by Concomitant Coordinative and Hydrogen Bonds
Authors of publication	Wang, Xin-Long; Qin, Chao; Wang, En-Bo
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	439
a	19.92 ± 0.004 Å
b	11.256 ± 0.002 Å
c	15.487 ± 0.003 Å
α	90°
β	94.77 ± 0.03°
γ	90°
Cell volume	3460.5 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179581 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/46.	4504625.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504625.cif
47441	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504625 via cif-deposit CGI script.	4504625.cif